The Japan Society of Applied Physics

13:36 〜 13:38

[SO-PS-08-04] Effect of Strain Modulation on Gas Molecule Adsorption on Graphene using First-Principles Calculations

Meng Yin1, Xiangyu Qiao1, Ken Suzuki3, Lei Wang4, Hideo Miura2 (1. Dept. of Finemechanics, Tohoku Univ. (Japan), 2. FRRI, Graduate School of Eng., Tohoku Univ. (Japan), 3. Green X-tech Center, Green Goals Initiative, Tohoku Univ. (Japan), 4. Dept. of Physics, Univ. of Science and Technology Beijing (China))

Graphene is an attractive material for gas sensing due to its high surface-to-volume ratio and superior carrier mobility. In this study, the effect of mechanical strain on adsorption properties of graphene for NH3 , CO, H2O and NO2 molecules were investigated by first-principles calculations. Our results show that strain can tune the gas binding behavior of graphene, specifically, NO2 exhibited greater strain sensitivity, with its adsorption energy increasing by 70% under 10% compressive strain. Their I-V characteristics were found to vary as a result of changes in gas molecule adsorption and strain, which were calculated using the non-equilibrium Green's function (NEGF) method. These findings highlight the promising potential of strain-controlled graphene as a continuously tunable sensing material for the development of advanced gas sensors.